[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

C9H13F3N2O3 — CID 156793229

IUPAC[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESNC1CCN(C(=O)COC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(16)17-5-7(15)14-3-1-6(13)2-4-14/h6H,1-5,13H2
InChIKeyGRFJEZBXMHXIQC-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.04
Rot. Bonds2

About [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 156793229) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID156793229
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESNC1CCN(C(=O)COC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(16)17-5-7(15)14-3-1-6(13)2-4-14/h6H,1-5,13H2
InChIKeyGRFJEZBXMHXIQC-UHFFFAOYSA-N
XLogP0.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260872
[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260935
Acetic acid-2-(4,4-difluoro-piperidin-1-yl)-2-oxo-ethyl Ester
CID 57749455
[2-[(4-Aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 66819144
[2-oxo-2-[[(3S)-piperidin-3-yl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 68471173
[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
[2-Oxo-2-(piperidin-3-ylmethylamino)ethyl] 2,2,2-trifluoroacetate
CID 77503681
[1-Oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90986997
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256141
[2-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260875

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (CID 156793229) is [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is NC1CCN(C(=O)COC(=O)C(F)(F)F)CC1.
What is the InChIKey of [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is GRFJEZBXMHXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)8(16)17-5-7(15)14-3-1-6(13)2-4-14/h6H,1-5,13H2.
What are the key properties of [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 254.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 156793229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).